Acetic Acid → HCID 18447279, compound

HRID 125428Notes

Reaction equation

HRID 125428 reaction equation
[C:32]([BH3-:33])#[N:34].[CH3:1][c:2]1[c:3]2[cH:4][n:5][nH:6][c:7]2[cH:8][cH:9][c:10]1[O:11][CH:12]1[CH2:13][CH:14]([NH2:18])[CH2:15][CH2:16][CH2:17]1.[CH3:28][C:29](=[O:30])[OH:31].[CH3:41][OH:42].[Cl:19][c:20]1[c:21]([CH:22]=[O:23])[cH:24][cH:25][cH:26][cH:27]1.[Na+:35].[Na+:36].[OH:37][C:38](=[O:39])[O-:40]>>[CH3:1][c:2]1[c:3]2[cH:4][n:5][nH:6][c:7]2[cH:8][cH:9][c:10]1[O:11][CH:12]1[CH2:13][CH:14]([NH:18][CH2:22][c:21]2[c:20]([Cl:19])[cH:27][cH:26][cH:25][cH:24]2)[CH2:15][CH2:16][CH2:17]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 69962-ChlorobenzaldehydeHCID 498716Cyano-borohydrideHCID 22933736HCID 22933736, compound

Product 1

HCID 18447279HCID 18447279, compound

Sources & evidence

ORD record
ord-49883405edea4ecbaf826f65518980a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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